3-(4-tert-butylphenyl)-5-(cyclopentylcarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-5-(cyclopentylcarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(cyclopentanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-[[cyclopentyl(oxo)methyl]amino]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(cyclopentanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(cyclopentanecarbonylamino)-1-m-anisyl-indole-2-carboxylic acid Formula: C33H36N2O4 MolecularWeight: 524.64994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NC(=O)C4CCCC4)CC5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NC(=O)C4CCCC4)CC5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C33H36N2O4/c1-33(2,3)24-14-12-22(13-15-24)29-27-19-25(34-31(36)23-9-5-6-10-23)16-17-28(27)35(30(29)32(37)38)20-21-8-7-11-26(18-21)39-4/h7-8,11-19,23H,5-6,9-10,20H2,1-4H3,(H,34,36)(H,37,38)